[1-octadecylsulfanyl-3-(2-octadecylsulfanylethoxy)propan-2-yl] 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [1-octadecylsulfanyl-3-(2-octadecylsulfanylethoxy)propan-2-yl] 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2-octadecylsulfanyl-1-(2-octadecylsulfanylethoxymethyl)ethyl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid [1-(octadecylthio)-3-[2-(octadecylthio)ethoxy]propan-2-yl] ester IUPAC Name: [1-octadecylsulfanyl-3-(2-octadecylsulfanylethoxy)propan-2-yl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [2-(stearylthio)-1-[2-(stearylthio)ethoxymethyl]ethyl] ester Formula: C55H102O4S2 MolecularWeight: 891.52598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCOCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCOCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C55H102O4S2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-60-44-41-58-47-51(59-53(56)40-39-50-45-49(3)54(57)52(46-50)55(4,5)6)48-61-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h45-46,51,57H,7-44,47-48H2,1-6H3